(3-piperazin-1-ylpyrrolidin-1-yl)-(2-propan-2-yl-1,3-thiazol-5-yl)methanone

C15H24N4OS — CID 120995259

IUPAC(3-piperazin-1-ylpyrrolidin-1-yl)-(2-propan-2-yl-1,3-thiazol-5-yl)methanone
SMILESCC(C)c1ncc(C(=O)N2CCC(N3CCNCC3)C2)s1
InChIInChI=1S/C15H24N4OS/c1-11(2)14-17-9-13(21-14)15(20)19-6-3-12(10-19)18-7-4-16-5-8-18/h9,11-12,16H,3-8,10H2,1-2H3
InChIKeyZNNIPIIWBNHVOW-UHFFFAOYSA-N
MW308.45 g/mol
LogP1.39
Rot. Bonds3

About (3-piperazin-1-ylpyrrolidin-1-yl)-(2-propan-2-yl-1,3-thiazol-5-yl)methanone

(3-piperazin-1-ylpyrrolidin-1-yl)-(2-propan-2-yl-1,3-thiazol-5-yl)methanone (PubChem CID 120995259) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is (3-piperazin-1-ylpyrrolidin-1-yl)-(2-propan-2-yl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name(3-piperazin-1-ylpyrrolidin-1-yl)-(2-propan-2-yl-1,3-thiazol-5-yl)methanone
PubChem CID120995259
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name(3-piperazin-1-ylpyrrolidin-1-yl)-(2-propan-2-yl-1,3-thiazol-5-yl)methanone
SMILESCC(C)c1ncc(C(=O)N2CCC(N3CCNCC3)C2)s1
InChIInChI=1S/C15H24N4OS/c1-11(2)14-17-9-13(21-14)15(20)19-6-3-12(10-19)18-7-4-16-5-8-18/h9,11-12,16H,3-8,10H2,1-2H3
InChIKeyZNNIPIIWBNHVOW-UHFFFAOYSA-N
XLogP1.39
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)thiophen-2-yl]ethanone;hydrochloride
CID 120997297
(2-butan-2-yl-1,3-thiazol-5-yl)-piperazin-1-ylmethanone
CID 82511876
(4-bromothiophen-2-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120994398
2,3-dimethyl-6-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 120995703
(3-methylsulfonylazetidin-1-yl)-(2-propan-2-yl-1,3-thiazol-5-yl)methanone
CID 139013552
(1-tert-butylpyrazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120997987
(2-methylsulfanylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120996871
N-methyl-5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)thiophene-3-sulfonamide
CID 120994763
(3,5-dimethylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120994448
(3-methoxy-5-methylthiophen-2-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120995788
4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-N-propan-2-ylbenzamide;hydrochloride
CID 120995696
(5-methyl-1-phenylpyrazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120995115

Frequently Asked Questions

What is the IUPAC name of (3-piperazin-1-ylpyrrolidin-1-yl)-(2-propan-2-yl-1,3-thiazol-5-yl)methanone?
The IUPAC name of (3-piperazin-1-ylpyrrolidin-1-yl)-(2-propan-2-yl-1,3-thiazol-5-yl)methanone (CID 120995259) is (3-piperazin-1-ylpyrrolidin-1-yl)-(2-propan-2-yl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for (3-piperazin-1-ylpyrrolidin-1-yl)-(2-propan-2-yl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for (3-piperazin-1-ylpyrrolidin-1-yl)-(2-propan-2-yl-1,3-thiazol-5-yl)methanone is CC(C)c1ncc(C(=O)N2CCC(N3CCNCC3)C2)s1.
What is the InChIKey of (3-piperazin-1-ylpyrrolidin-1-yl)-(2-propan-2-yl-1,3-thiazol-5-yl)methanone?
The InChIKey is ZNNIPIIWBNHVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-11(2)14-17-9-13(21-14)15(20)19-6-3-12(10-19)18-7-4-16-5-8-18/h9,11-12,16H,3-8,10H2,1-2H3.
What are the key properties of (3-piperazin-1-ylpyrrolidin-1-yl)-(2-propan-2-yl-1,3-thiazol-5-yl)methanone?
(3-piperazin-1-ylpyrrolidin-1-yl)-(2-propan-2-yl-1,3-thiazol-5-yl)methanone has a molecular weight of 308.45 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-piperazin-1-ylpyrrolidin-1-yl)-(2-propan-2-yl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 120995259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).